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Summary
Name:(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate
Formula:C29 H58 N O8 P
Formal charge:0
Formula weight:579.746 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate
OpenEye OEToolkits2.0.7[(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-dodecanoyloxy-propyl] dodecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI1.06InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m0/s1
InChIKeyInChI1.06ZLGYVWRJIZPQMM-MHZLTWQESA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC

222415

건을2024-07-10부터공개중

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